| SpectraBase Compound ID | 651BQNEHbE |
|---|---|
| InChI | InChI=1S/C9H17ClO2/c1-3-5-8(10)6-4-7-9(11)12-2/h8H,3-7H2,1-2H3 |
| InChIKey | PKNZAVUQCXBLRX-UHFFFAOYSA-N |
| Mol Weight | 192.69 g/mol |
| Molecular Formula | C9H17ClO2 |
| Exact Mass | 192.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRk97xekF53 |
|---|---|
| Name | Octanoic acid, 5-chloro-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.091707485 u |
| Formula | C9H17ClO2 |
| InChI | InChI=1S/C9H17ClO2/c1-3-5-8(10)6-4-7-9(11)12-2/h8H,3-7H2,1-2H3 |
| InChIKey | PKNZAVUQCXBLRX-UHFFFAOYSA-N |
| Molecular Weight | 192.686 g/mol |
| SMILES | C(=O)(OC)CCCC(Cl)CCC |